5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide

C16H26N2OS — CID 79613412

IUPAC5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(C)(C)C1CCCCC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)13-6-4-5-7-14(13)18-9-12-8-11(10-20-12)15(17)19/h8,10,13-14,18H,4-7,9H2,1-3H3,(H2,17,19)
InChIKeyXIQBMTRANYTCEM-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.54
Rot. Bonds4

About 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide

5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79613412) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
PubChem CID79613412
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
SMILESCC(C)(C)C1CCCCC1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)13-6-4-5-7-14(13)18-9-12-8-11(10-20-12)15(17)19/h8,10,13-14,18H,4-7,9H2,1-3H3,(H2,17,19)
InChIKeyXIQBMTRANYTCEM-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide (CID 79613412) is 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide is CC(C)(C)C1CCCCC1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is XIQBMTRANYTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)13-6-4-5-7-14(13)18-9-12-8-11(10-20-12)15(17)19/h8,10,13-14,18H,4-7,9H2,1-3H3,(H2,17,19).
What are the key properties of 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide?
5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).